UCSF

ZINC03288626

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.27 9.46 -41.08 1 2 1 22 252.765 3
Hi High (pH 8-9.5) 3.27 7.26 -8.23 0 2 0 20 251.757 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )